Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.48 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.48 |
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.48 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.61 |
| ▸ | MAOB | P27338 | 1/20 | 0.61 |
| ▸ | F13A1 | P00488 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | CA6 | P23280 | 2/20 | 0.48 |
| ▸ | CA5A | P35218 | 2/20 | 0.48 |
| ▸ | THPO | P40225 | 2/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1305256 | 0.89 | MAOA (0.45) | MAOAMAOBCA12CA2ALOX15 | |
| SCHEMBL356866 | 0.89 | — | — | |
| Ethylenediamine SCHEMBL8853631 | 0.86 | MAOA (0.43) | MAOAMAOBCA12CA2ALOX15 | |
| SCHEMBL5598890 | 0.84 | MAOA (0.45) | MAOAMAOBCA12CA2ALOX15 | |
| SCHEMBL11677216 | 0.84 | CA4 (0.45) | MAOAMAOBCA12CA2CA4 | |
| SCHEMBL7021961 | 0.80 | CA1 (0.44) | MAOAMAOBCA4CA1PAOX | |
| SCHEMBL11113523 | 0.79 | CA1 (0.48) | CA4CA1HDAC6 | |
| Ammonia Solution, Strong SCHEMBL10780673 | 0.78 | CA12 (0.48) | MAOAMAOBCA12F13A1CA2 | |
| SCHEMBL321998 | 0.78 | CA1 (0.54) | CA1TSHR | |
| SCHEMBL1355989 | 0.78 | CA4 (0.50) | CA12CA2CA4CA9CA1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0101588-A1 | Compositions comprising amino and diamino acid derivatives and use thereof as plant growth stimulants | S.I.P.C.A.M. S.p.A. Società Italiana Prodotti Chimici e per l'Agricoltura Milano (IT) | 1984-02-29 | — | — | EP | disclosed |